1-[2-(4,4-Dimethylcyclohexyl)phenyl]piperazine

HCID 23142224

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Basic information

Standard SMILES: CC1(C)CCC(c2ccccc2N2CCNCC2)CC1
InChIKey: XGDYDDWVKJWQJV-UHFFFAOYSA-N
Molecular formula: C18H28N2
Average molar mass: 272.4 g/mol

Names & identifiers

Preferred name: 1-[2-(4,4-Dimethylcyclohexyl)phenyl]piperazine
IUPAC: 1-[2-(4,4-dimethylcyclohexyl)phenyl]piperazine

Names & synonyms

SCHEMBL4258576SCHEMBL6022687XGDYDDWVKJWQJV-UHFFFAOYSA-N1-[2-(4,4-dimethylcyclohexyl)phenyl]piperazine

Database identifiers

PubChem CID: 23142224

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 15.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 20
Formal charge: 0
Complexity: 297

Related reactions

7 records

New reaction record

HRID 32184 reaction equation

HRID 32184As reactantuspto-grants-2008_09

HRID 32185 reaction equation

HRID 32185As reactantuspto-grants-2008_09

HRID 833168 reaction equation

HRID 833168As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 955883 reaction equation

HRID 955883As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 2218830 reaction equation

HRID 2218830As reactantuspto-grants-2008_08

HRID 2218831 reaction equation

HRID 2218831As reactantuspto-grants-2008_08

HRID 2218856 reaction equation

HRID 2218856As reactantuspto-grants-2008_08

Linked notes

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